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CHEBI:218567 - Varilactone A

ChEBI IDCHEBI:218567
ChEBI NameVarilactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O5
Net Charge0
Average Mass426.553
Monoisotopic Mass426.24062
SMILESCC1=C[C@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2[C@H]1/C=C/C=C/C=C/C1(C)C2OC(=O)[C@]1(C)C(=O)[C@@H]2C
InChIInChI=1S/C26H34O5/c1-15-14-24(5)19(26(7,29)17(3)31-24)18(15)12-10-8-9-11-13-23(4)21-16(2)20(27)25(23,6)22(28)30-21/h8-14,16-19,21,29H,1-7H3/b9-8+,12-10+,13-11+/t16-,17-,18-,19+,21?,23?,24-,25-,26+/m0/s1
InChIKeyUIXOTFLMOYJXIR-BDEVDTTPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29124659)
ChEBI Ontology
Outgoing Relation(s)
Varilactone A (CHEBI:218567) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(4S,6R)-7-[(1E,3E,5E)-6-[(2S,3S,3aS,4R,6aS)-3-hydroxy-2,3,5,6a-tetramethyl-3a,4-dihydro-2H-cyclopenta[b]uran-4-yl]hexa-1,3,5-trienyl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione